Mon May 13 14:00:26.459 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:00:26.469 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_B12\1\pdata\1
Mon May 13 14:00:26.489 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:00:26.498 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:00:26.509 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:00:26.538 CEST 2019: No HSQC data available
Mon May 13 14:00:26.558 CEST 2019: No C13 data available
Mon May 13 14:00:26.579 CEST 2019: No HMBC data available
Mon May 13 14:00:26.589 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:00:26.639 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:00:27.479 CEST 2019: Structure is used: true
Mon May 13 14:00:27.519 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_B12/1/0110706035.mol
Mon May 13 14:00:27.534 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.88 s.
Mon May 13 14:00:27.549 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:00:27.560 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:00:27.570 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:00:27.580 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:00:27.588 CEST 2019: Spectrum is suppressed.
Mon May 13 14:00:27.600 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:00:27.610 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:00:27.620 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:00:27.631 CEST 2019: Expected impurity: TSP
Mon May 13 14:00:27.641 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:00:27.651 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 14:00:27.661 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 13 14:00:27.671 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:00:27.681 CEST 2019: RMSD noise: 687.164 (5.250/4.751)
Mon May 13 14:00:27.691 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:00:27.699 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:00:27.719 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:00:27.760 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:00:28.063 CEST 2019: Number of Peaks: (63, 30)
Mon May 13 14:00:28.088 CEST 2019: Elapsed time for evaluation (PP Suite): 0.31 s.
Mon May 13 14:00:28.099 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:00:28.109 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:00:28.119 CEST 2019: Signal-to-Noise ratio: 1222.74 (3.189 ppm)
Mon May 13 14:00:28.129 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:00:28.139 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:00:28.149 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Mon May 13 14:00:28.219 CEST 2019: Number of Multiplets: 133
Mon May 13 14:00:28.229 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Mon May 13 14:00:28.339 CEST 2019: Number of Peak Cluster: 14
Mon May 13 14:00:28.349 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 14:00:28.479 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Mon May 13 14:00:29.060 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.57 s.
Mon May 13 14:00:29.079 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 14:00:29.094 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:00:29.108 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:00:29.119 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:00:29.143 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 14:00:48.809 CEST 2019: Number of ASL: 546
Mon May 13 14:00:48.828 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 19.68 s.
Mon May 13 14:00:50.537 CEST 2019: Elapsed time for evaluation (IN Suite): 1.69 s.
Mon May 13 14:00:50.558 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:00:51.419 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.87 s.
Mon May 13 14:00:51.428 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:00:51.438 CEST 2019: CMC-q finished in 24.98 s.
